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	hartrees
Energy at 0K	-133.533195
Energy at 298.15K	-133.539380
HF Energy	-133.048967
Nuclear repulsion energy	75.621435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3515	3372	0.14
2	A'	3243	3112	34.44
3	A'	3150	3022	11.58
4	A'	1538	1476	1.27
5	A'	1316	1262	6.56
6	A'	1262	1211	13.10
7	A'	1131	1085	3.25
8	A'	1016	975	11.22
9	A'	897	860	48.80
10	A'	780	748	16.99
11	A"	3230	3099	0.46
12	A"	3140	3013	27.13
13	A"	1496	1435	0.04
14	A"	1284	1232	7.77
15	A"	1158	1111	1.74
16	A"	1115	1070	1.29
17	A"	916	879	11.20
18	A"	886	850	0.09

Atom	x (Å)	y (Å)	z (Å)
N1	-0.039	0.881	0.000
H2	0.917	1.251	0.000
C3	-0.039	-0.398	0.746
C4	-0.039	-0.398	-0.746
H5	-0.967	-0.610	1.289
H6	0.879	-0.711	1.261
H7	-0.967	-0.610	-1.289
H8	0.879	-0.711	-1.261

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0250	1.4804	1.4804	2.1787	2.2281	2.1787	2.2281
H2	1.0250		2.0469	2.0469	2.9456	2.3327	2.9456	2.3327
C3	1.4804	2.0469		1.4927	1.0961	1.0974	2.2472	2.2288
C4	1.4804	2.0469	1.4927		2.2472	2.2288	1.0961	1.0974
H5	2.1787	2.9456	1.0961	2.2472		1.8488	2.5781	3.1492
H6	2.2281	2.3327	1.0974	2.2288	1.8488		3.1492	2.5211
H7	2.1787	2.9456	2.2472	1.0961	2.5781	3.1492		1.8488
H8	2.2281	2.3327	2.2288	1.0974	3.1492	2.5211	1.8488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.724	N1	C3	H5	114.651
N1	C3	H6	118.864	N1	C4	C3	59.724
N1	C4	H7	114.651	N1	C4	H8	118.864
H2	N1	C3	108.198	H2	N1	C4	108.198
C3	N1	C4	60.552	C3	C4	H7	119.678
C3	C4	H8	117.940	C4	C3	H5	119.678
C4	C3	H6	117.940	H5	C3	H6	114.880
H7	C4	H8	114.880

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: QCISD/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C2H5N (Aziridine)

using model chemistry: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)